N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide

C23H27N5O3S — CID 135375659

IUPACN-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2cc(NS(C)(=O)=O)cn2)CC1
InChIInChI=1S/C23H27N5O3S/c1-18-14-20(19-6-4-3-5-7-19)8-9-21(18)16-26-10-12-27(13-11-26)23(29)28-17-22(15-24-28)25-32(2,30)31/h3-9,14-15,17,25H,10-13,16H2,1-2H3
InChIKeyRUKCXPVUTSMBHG-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.02
Rot. Bonds5

About N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide

N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide (PubChem CID 135375659) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
PubChem CID135375659
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2cc(NS(C)(=O)=O)cn2)CC1
InChIInChI=1S/C23H27N5O3S/c1-18-14-20(19-6-4-3-5-7-19)8-9-21(18)16-26-10-12-27(13-11-26)23(29)28-17-22(15-24-28)25-32(2,30)31/h3-9,14-15,17,25H,10-13,16H2,1-2H3
InChIKeyRUKCXPVUTSMBHG-UHFFFAOYSA-N
XLogP3.02
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526739
[4-(Naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118526755
(4-Methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 118526861
[4-[(4-Phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118531126
US10323038, Example 293
CID 135375789
US10323038, Example 218
CID 135375837
US10323038, Example 292
CID 135375873
US10323038, Example 226
CID 135375562
US10323038, Example 212
CID 135375658
US10323038, Example 221
CID 135375679
US10323038, Example 232
CID 135375851
US10323038, Example 206
CID 135375884

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide (CID 135375659) is N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide is Cc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2cc(NS(C)(=O)=O)cn2)CC1.
What is the InChIKey of N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is RUKCXPVUTSMBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-18-14-20(19-6-4-3-5-7-19)8-9-21(18)16-26-10-12-27(13-11-26)23(29)28-17-22(15-24-28)25-32(2,30)31/h3-9,14-15,17,25H,10-13,16H2,1-2H3.
What are the key properties of N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 135375659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).